The CP2K project : input section PLANE

Section PLANE

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%SUBSYS%COLVAR%ANGLE_PLANE_PLANE%PLANE.

This section defines the plane. When using this colvar, two plane section must be defined!. This section can be repeated and can not be optional.

Subsections

None

Section keywords

Keyword descriptions

DEF_TYPE
DEF_TYPE ATOMS
Specify how the plane is defined: either by 3 atoms or by a fixed normal vector. At least one plane must be defined through atoms.
This optional keyword expects a keyword. Default value: ATOMS
valid keywords:
  • ATOMS: Plane defined by the position of 3 atoms
  • VECTOR: Plane defined by a fixed normal vector
ATOMS
ATOMS
Specifies the indexes of 3 atoms/points defining the plane.
This required keyword expects precisely 3 integers
NORMAL_VECTOR
NORMAL_VECTOR 0.0 1.0 0.0
Alternatively to 3 atoms/points one can define one of the two, planes by defining its NORMAL vector.
This required keyword expects precisely 3 reals


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